Geometry & MOs

Info

ID:	445192
PubChem CID:	135264855
Reduced:	FSN3O6H24C25 (1)
Stoich.:	ABC3D6E24F25 (1)
Weight, g/mol:	340.092186
ΔH_f, kcal/mol:	-203.11
Dipole, Da:	2.3
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-[(3E)-penta-1,3-dien-3-yl]-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

Drug info:

PubChemData

Smile

CN(C1=CC2=C(C=C1)OCO2)C(=O)[C@H](CCC3=CC=CC=C3)NC(=O)NS(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations